Pyrrole

Pyrrole

SCHEMBL28313282

O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O.c1cc[nH]c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 2/20 0.35
KMT2A Q03164 2/20 0.34
NAPRT Q6XQN6 1/20 0.34
MEN1 O00255 1/20 0.34
PIN1 Q13526 2/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL258457 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL29110843 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL30660932 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL3810886 0.73 ALDH1A1 (0.35) KDM4EALDH1A1MAPTALOX15TSHR
Quinolinic Acid SCHEMBL28320479 0.72 KDM4E (0.79) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL9315436 0.71 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Pyrrole SCHEMBL9422269 0.71 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL2805794 0.70 IKBKB (0.39) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL3875708 0.68 ALDH1A1 (0.38) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL5925880 0.68 PTPRC (0.45) KDM4EALDH1A1MAPTALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110050371-A Gas diffusion layer for fuel cell including porous carbon film layer 凯得内株式会社 2019-07-23 CN disclosed